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Valsartan is an important pharmaceutical compound belonging to the angiotensin II receptor blocker (ARB) class. CAS no 137862-53-4 is the unique chemical identifier associated with valsartan, making it useful for accurate substance identification across pharmaceutical research, manufacturing, procurement, and regulatory documentation. Understanding the molecular structure and chemical properties of valsartan can help pharmaceutical professionals distinguish the compound from related substances, salts, and combination products.

What Is Valsartan?

Valsartan is a synthetic organic compound with a complex molecular architecture that includes a biphenyl group, tetrazole ring, amide functionality, and carboxylic acid group. Its systematic IUPAC name is (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid. PubChem identifies valsartan as CID 60846 and lists its molecular formula as C24H29N5O3.

The compound's structure is particularly relevant when evaluating pharmaceutical ingredients because its functional groups influence properties such as polarity, hydrogen bonding, molecular interactions, and ionization behavior.

Molecular Formula and Molecular Weight

The molecular formula of valsartan is C24H29N5O3, indicating that each molecule contains 24 carbon atoms, 29 hydrogen atoms, five nitrogen atoms, and three oxygen atoms. Its molecular weight is approximately 435.5 g/mol.

For pharmaceutical manufacturers and API procurement teams, these values are fundamental identity characteristics. They can be used alongside analytical techniques and specification documents to verify the identity and consistency of a material.

The exact mass of valsartan is approximately 435.2270 Da. Valsartan also has a calculated XLogP3-AA value of 4.4, two hydrogen-bond donors, six hydrogen-bond acceptors, and ten rotatable bonds. Its topological polar surface area is approximately 112 Ų.

Chemical Structure of Valsartan

The molecular structure of valsartan contains several chemically significant components. One notable feature is its biphenyl framework, consisting of two connected aromatic rings. Attached to this framework is a tetrazole-containing group, while another portion of the molecule contains a substituted amino acid-derived structure.

Valsartan is structurally related to L-valine and contains a pentanoyl group. The molecule also includes a carboxylic acid functionality. Together, these structural elements give valsartan its distinctive chemical profile.

The stereochemistry of the molecule is another important consideration. The systematic representation identifies the compound with an (S) configuration at its relevant chiral center. This stereochemical designation is important because pharmaceutical compounds can exhibit different physicochemical characteristics depending on their three-dimensional arrangement.

Important Chemical Identifiers

CAS no 137862-53-4 is one of several identifiers used to distinguish valsartan in chemical and pharmaceutical databases. Other identifiers include its PubChem Compound ID (CID 60846), InChI, InChIKey, and canonical SMILES representation.

The InChIKey for valsartan is ACWBQPMHZXGDFX-QFIPXVFZSA-N. These machine-readable identifiers are particularly useful for chemical databases, computational research, analytical workflows, and information management systems. Using multiple identifiers can reduce ambiguity when searching for a compound across different scientific resources.

Physicochemical Characteristics

Several calculated properties help describe the chemical behavior of valsartan. Its relatively high number of rotatable bonds reflects a molecular structure with considerable conformational flexibility. Meanwhile, its hydrogen-bond donor and acceptor counts indicate the presence of functional groups capable of participating in hydrogen-bond interactions.

The molecule's tetrazole and carboxylic acid groups are also important from an ionization perspective. These acidic functionalities contribute to the compound's overall physicochemical behavior under different conditions. Consequently, factors such as pH and molecular environment can influence the form and behavior of valsartan in pharmaceutical formulations and analytical systems.

When evaluating CAS no 137862-53-4, it is important to distinguish the parent valsartan molecule from its sodium or disodium salt forms and from combination products. This is why the CAS number should be considered alongside the complete chemical identity and relevant technical documentation.

Why Chemical Identification Matters for Pharmaceutical APIs

Accurate identification is essential throughout the pharmaceutical supply chain. Manufacturers, laboratories, distributors, and procurement teams may use CAS numbers together with molecular formulas, specifications, analytical data, and regulatory documentation when assessing an active pharmaceutical ingredient.

For organizations sourcing valsartan API, confirming the correct chemical identity helps establish consistency between purchasing specifications, quality-control documentation, analytical testing, and regulatory records. CAS no 137862-53-4 can serve as a convenient reference point, but it should be used together with appropriate quality and technical documentation rather than as the sole basis for material verification.

Conclusion

Valsartan has a well-defined molecular identity characterized by the formula C24H29N5O3 and a molecular weight of approximately 435.5 g/mol. Its biphenyl-tetrazole framework, amino acid-derived structure, carboxylic acid group, and specific stereochemistry contribute to its distinctive chemical characteristics.

For pharmaceutical professionals, understanding these properties provides a useful foundation for API identification, technical evaluation, and chemical database research. Whether used for procurement, analytical reference, or pharmaceutical manufacturing documentation, CAS no 137862-53-4 provides a concise and internationally recognized reference for valsartan.

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